苯丙氨酯
TL;DR: 苯丙氨酯 (CAS 673-31-4) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯丙氨酯
3-phenylpropyl carbamate
Also Known As: phenprobamate, 3-Phenylpropyl carbamate, Spantol, Ansepron, Proformiphen
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 673-31-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCOC(=O)N |
| InChIKey | CAMYKONBWHRPDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯丙氨酯 (CAS 673-31-4), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: 3-phenylpropyl carbamate.
Chemical Property Profile of 苯丙氨酯
Property Insights of 苯丙氨酯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯丙氨酯. With a topological polar surface area (TPSA) of 52.3 Ų, 苯丙氨酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯丙氨酯 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 苯丙氨酯?
The CAS number of 苯丙氨酯 is 673-31-4.
What is the molecular formula of 苯丙氨酯?
The molecular formula of 苯丙氨酯 is C10H13NO2.
What is the molecular weight of 苯丙氨酯?
The molecular weight of 苯丙氨酯 is 179.09 g/mol.
Where can I buy 苯丙氨酯?
You can request a quote for 苯丙氨酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯丙氨酯?
Yes, KEHONG BIO provides custom synthesis services for 苯丙氨酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.